[4-(4-methyl-2-methylsulfanyl-5-oxidanylidene-1-phenylazanyl-imidazol-4-yl)phenyl]methyl 4-chloranylbenzoate

Systemtic Name: [4-(4-methyl-2-methylsulfanyl-5-oxidanylidene-1-phenylazanyl-imidazol-4-yl)phenyl]methyl 4-chloranylbenzoate Openeye Name: [4-(1-anilino-4-methyl-2-methylsulfanyl-5-oxo-imidazol-4-yl)phenyl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[1-anilino-4-methyl-2-(methylthio)-5-oxo-4-imidazolyl]phenyl]methyl ester IUPAC Name: [4-(1-anilino-4-methyl-2-methylsulfanyl-5-oxoimidazol-4-yl)phenyl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[1-anilino-5-keto-4-methyl-2-(methylthio)-2-imidazolin-4-yl]benzyl] ester Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=C(C=C3)COC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=C(C=C3)COC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-25(23(31)29(24(27-25)33-2)28-21-6-4-3-5-7-21)19-12-8-17(9-13-19)16-32-22(30)18-10-14-20(26)15-11-18/h3-15,28H,16H2,1-2H3